6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole

C116H86N6S2 — CID 157440445

IUPAC6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
SMILESCc1ccc2c(c1)c1ccc3c(c4ccc(C)cc4n3-c3ccccc3)c1n2-c1ccccc1.Cc1ccc2c(c1)sc1cc3c(cc12)c1ccc(C)cc1n3-c1ccccc1.Cc1ccc2c3c4c5ccc(C)cc5n(-c5ccccc5)c4ccc3n(-c3ccccc3)c2c1.Cc1ccc2c3ccc4sc5c(C)cccc5c4c3n(-c3ccccc3)c2c1
InChIInChI=1S/2C32H24N2.2C26H19NS/c1-21-14-17-28-27(19-21)25-16-18-29-31(32(25)34(28)24-11-7-4-8-12-24)26-15-13-22(2)20-30(26)33(29)23-9-5-3-6-10-23;1-21-13-15-25-29(19-21)33(23-9-5-3-6-10-23)27-17-18-28-32(31(25)27)26-16-14-22(2)20-30(26)34(28)24-11-7-4-8-12-24;1-16-11-12-19-20-13-14-23-24(21-10-6-7-17(2)26(21)28-23)25(20)27(22(19)15-16)18-8-4-3-5-9-18;1-16-8-10-19-21-14-22-20-11-9-17(2)13-25(20)28-26(22)15-24(21)27(23(19)12-16)18-6-4-3-5-7-18/h2*3-20H,1-2H3;2*3-15H,1-2H3
InChIKeyBRPOQGWOEVTNLL-UHFFFAOYSA-N
MW1628.14 g/mol
LogP32.53
Rot. Bonds6

About 6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole

6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole (PubChem CID 157440445) has the molecular formula C116H86N6S2 and a molecular weight of 1628.14 g/mol. Its IUPAC name is 6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
PubChem CID157440445
Molecular FormulaC116H86N6S2
Molecular Weight1628.14 g/mol
Exact Mass1626.64
IUPAC Name6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
SMILESCc1ccc2c(c1)c1ccc3c(c4ccc(C)cc4n3-c3ccccc3)c1n2-c1ccccc1.Cc1ccc2c(c1)sc1cc3c(cc12)c1ccc(C)cc1n3-c1ccccc1.Cc1ccc2c3c4c5ccc(C)cc5n(-c5ccccc5)c4ccc3n(-c3ccccc3)c2c1.Cc1ccc2c3ccc4sc5c(C)cccc5c4c3n(-c3ccccc3)c2c1
InChIInChI=1S/2C32H24N2.2C26H19NS/c1-21-14-17-28-27(19-21)25-16-18-29-31(32(25)34(28)24-11-7-4-8-12-24)26-15-13-22(2)20-30(26)33(29)23-9-5-3-6-10-23;1-21-13-15-25-29(19-21)33(23-9-5-3-6-10-23)27-17-18-28-32(31(25)27)26-16-14-22(2)20-30(26)34(28)24-11-7-4-8-12-24;1-16-11-12-19-20-13-14-23-24(21-10-6-7-17(2)26(21)28-23)25(20)27(22(19)15-16)18-8-4-3-5-9-18;1-16-8-10-19-21-14-22-20-11-9-17(2)13-25(20)28-26(22)15-24(21)27(23(19)12-16)18-6-4-3-5-7-18/h2*3-20H,1-2H3;2*3-15H,1-2H3
InChIKeyBRPOQGWOEVTNLL-UHFFFAOYSA-N
XLogP32.53
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001628.14
LogP ≤ 532.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole with MolForge

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Related Compounds

bis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene
CID 157467248
1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole
CID 159994070
9-methylcarbazole;1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole
CID 157064367
1,9-dimethylcarbazole;2,9-dimethylcarbazole;3,9-dimethylcarbazole;4,9-dimethylcarbazole;1-methyldibenzothiophene;2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene
CID 162148469
5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
CID 170394006
1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158815126
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);bis(3-methyldibenzothiophene);4-methyldibenzothiophene;toluene
CID 157283960
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);tris(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158221081
5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 118504656
12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole
CID 118041194
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 159780047
9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 162012575

Frequently Asked Questions

What is the IUPAC name of 6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole (CID 157440445) is 6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole is Cc1ccc2c(c1)c1ccc3c(c4ccc(C)cc4n3-c3ccccc3)c1n2-c1ccccc1.Cc1ccc2c(c1)sc1cc3c(cc12)c1ccc(C)cc1n3-c1ccccc1.Cc1ccc2c3c4c5ccc(C)cc5n(-c5ccccc5)c4ccc3n(-c3ccccc3)c2c1.Cc1ccc2c3ccc4sc5c(C)cccc5c4c3n(-c3ccccc3)c2c1.
What is the InChIKey of 6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is BRPOQGWOEVTNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H24N2.2C26H19NS/c1-21-14-17-28-27(19-21)25-16-18-29-31(32(25)34(28)24-11-7-4-8-12-24)26-15-13-22(2)20-30(26)33(29)23-9-5-3-6-10-23;1-21-13-15-25-29(19-21)33(23-9-5-3-6-10-23)27-17-18-28-32(31(25)27)26-16-14-22(2)20-30(26)34(28)24-11-7-4-8-12-24;1-16-11-12-19-20-13-14-23-24(21-10-6-7-17(2)26(21)28-23)25(20)27(22(19)15-16)18-8-4-3-5-9-18;1-16-8-10-19-21-14-22-20-11-9-17(2)13-25(20)28-26(22)15-24(21)27(23(19)12-16)18-6-4-3-5-7-18/h2*3-20H,1-2H3;2*3-15H,1-2H3.
What are the key properties of 6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 1628.14 g/mol, XLogP of 32.53, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 157440445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).